N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C18H26N2O3 — CID 71992369

IUPACN-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCOc1cc(NC(=O)N2CCC3(CCOCC3)C2)ccc1C
InChIInChI=1S/C18H26N2O3/c1-3-23-16-12-15(5-4-14(16)2)19-17(21)20-9-6-18(13-20)7-10-22-11-8-18/h4-5,12H,3,6-11,13H2,1-2H3,(H,19,21)
InChIKeyPSQVOVXOCCIQDF-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.43
Rot. Bonds3

About N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 71992369) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID71992369
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCOc1cc(NC(=O)N2CCC3(CCOCC3)C2)ccc1C
InChIInChI=1S/C18H26N2O3/c1-3-23-16-12-15(5-4-14(16)2)19-17(21)20-9-6-18(13-20)7-10-22-11-8-18/h4-5,12H,3,6-11,13H2,1-2H3,(H,19,21)
InChIKeyPSQVOVXOCCIQDF-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 71992369) is N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCOc1cc(NC(=O)N2CCC3(CCOCC3)C2)ccc1C.
What is the InChIKey of N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is PSQVOVXOCCIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-16-12-15(5-4-14(16)2)19-17(21)20-9-6-18(13-20)7-10-22-11-8-18/h4-5,12H,3,6-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71992369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).